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Radial integrals for the magnetic form factor of 5<i>d</i>transition elements
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2011
Year
EngineeringNuclear PhysicsMagnetic ResonanceComputational ChemistryElectronic StructureMagnetismElectron SpectroscopyDefinite IntegralTransition Metal AtomsElectron DensityPhysicsRadial IntegralsAtomic PhysicsQuantum ChemistryAb-initio MethodNatural SciencesTransition MetalsApplied PhysicsCondensed Matter Physics
The radial integrals, <linear span>j(L)<linear span>, where L = 0, 2, 4, for several electronic configurations in the 5d electrons of transition metal atoms and ions are calculated using radial wavefunctions from the pseudo-relativistic Hartree-Fock method in the Cowan program. The resultant values are fitted to Gaussian analytical expressions with four exponential terms, and the fitted coefficients are tabulated. This table can be used to interpret the magnetic form factor measurements for 5d transition metals.
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